Molecule FYI-1007738

A

Molecule Summary:

ID: FYI-1007738
Names:
InChIKey: QCINTRWAXYIUFE-UHFFFAOYSA-N
SMILES: Cc3cc(=O)n2CCN(C(=O)Cc1cccc(F)c1)c2n3

Received at FYIcenter.com on: 2024-03-14

Molecule ID: FYI-1007738 Edit

Molecule Structure InChIKey: QCINTRWAXYIUFE-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(=O)n2CCN(C(=O)Cc1cccc(F)c1)c2n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007738
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.4496    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8822    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7496    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6170    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1612    1.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3075    3.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1749    4.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8960    3.5467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2855    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9944    3.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451    0.8273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    3.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    4.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    5.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    3.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    2.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493    6.7376    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2938    1.0780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3213    5.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  3  9  2  0  0  0  0
  2  6  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 15 19  1  0  0  0  0
  6 20  2  0  0  0  0
  8 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007738-3D
FYIcenter.com

 35 37  0     0  0  0  0  0  0999 V2000
   -5.4534   -0.4233    1.9078 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2399    2.0153    0.0444 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4877    0.5234    0.0900 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9109    1.1255    0.0166 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1739    0.7432    0.0648 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483   -1.1608   -0.0182 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5508    2.4245    0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0414    2.1804    0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9210    0.1193    0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4904    1.0403   -0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3599    0.0436    0.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0585   -0.3448   -0.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8997   -1.9233    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1508   -1.4275    0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5529   -0.2979   -0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -3.4064   -0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3227   -0.3834    0.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1751   -0.1694   -1.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7145   -0.3403    0.7936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5669   -0.1266   -1.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3366   -0.2118   -0.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3045    2.7969    1.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1629    3.1395   -0.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4185    2.5349   -0.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6386    2.6404    0.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7610   -0.9605    0.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6490   -0.8073   -1.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0302   -2.0608    0.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0704   -3.7138    0.8399 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6024   -3.9750   -0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1252   -3.6866   -0.9354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8504   -0.4822    1.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5867   -0.1001   -2.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0515   -0.0262   -2.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4203   -0.1783   -0.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 10  2  0  0  0  0
  3 11  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
$$$$

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2024-03-23, 1388👍, 0💬